![3-[(4-Nitrophenyl)amino]propan-1-ol structure](/static/products/866/86651-99-2.png)
3-[(4-Nitrophenyl)amino]propan-1-ol
TL;DR: 3-[(4-Nitrophenyl)amino]propan-1-ol (CAS 86651-99-2) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitroanilino)propan-1-ol
Also Known As: 3-[(4-nitrophenyl)amino]propan-1-ol, 3-(4-nitroanilino)propan-1-ol, 3-(4-Nitroanilino)-1-propanol, 3-[(4-Nitrophenyl)amino]-1-propanol, 3-(4-Nitrophenylamino)propane-1-ol
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 86651-99-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCCO)[N+](=O)[O-] |
| InChIKey | WVKYZNIVNCTAQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(4-Nitrophenyl)amino]propan-1-ol (CAS 86651-99-2), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 3-(4-nitroanilino)propan-1-ol.
Chemical Property Profile of 3-[(4-Nitrophenyl)amino]propan-1-ol
Property Insights of 3-[(4-Nitrophenyl)amino]propan-1-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Nitrophenyl)amino]propan-1-ol. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)amino]propan-1-ol. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)amino]propan-1-ol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-Nitrophenyl)amino]propan-1-ol?
The CAS number of 3-[(4-Nitrophenyl)amino]propan-1-ol is 86651-99-2.
What is the molecular formula of 3-[(4-Nitrophenyl)amino]propan-1-ol?
The molecular formula of 3-[(4-Nitrophenyl)amino]propan-1-ol is C9H12N2O3.
What is the molecular weight of 3-[(4-Nitrophenyl)amino]propan-1-ol?
The molecular weight of 3-[(4-Nitrophenyl)amino]propan-1-ol is 196.08 g/mol.
Where can I buy 3-[(4-Nitrophenyl)amino]propan-1-ol?
You can request a quote for 3-[(4-Nitrophenyl)amino]propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Nitrophenyl)amino]propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)amino]propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.